3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide

C21H17ClFN3O3 — CID 46975669

IUPAC3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C21H17ClFN3O3/c1-12-19(20(25-29-12)13-6-8-14(22)9-7-13)21(28)24-15-10-18(27)26(11-15)17-5-3-2-4-16(17)23/h2-9,15H,10-11H2,1H3,(H,24,28)
InChIKeyFDJCTIBCFYGYQP-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.98
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46975669) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID46975669
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC Name3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C21H17ClFN3O3/c1-12-19(20(25-29-12)13-6-8-14(22)9-7-13)21(28)24-15-10-18(27)26(11-15)17-5-3-2-4-16(17)23/h2-9,15H,10-11H2,1H3,(H,24,28)
InChIKeyFDJCTIBCFYGYQP-UHFFFAOYSA-N
XLogP3.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166214840
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CID 95985195
2,6-difluoro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547250
3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35702435
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626128
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45190473
cis-(1S,3R)-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675824
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
CID 95323518
3-(4-chlorophenyl)-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46975659

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 46975669) is 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FDJCTIBCFYGYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c1-12-19(20(25-29-12)13-6-8-14(22)9-7-13)21(28)24-15-10-18(27)26(11-15)17-5-3-2-4-16(17)23/h2-9,15H,10-11H2,1H3,(H,24,28).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46975669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).